SCHEMBL493380

SCHEMBL493380

CN(C)C(c1ccc(Cl)cc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.40
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
PTGIR P43119 5/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
FAAH O00519 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
THRB P10828 1/20 0.34
CXCR3 P49682 2/20 0.33
SLC9A3 P48764 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL493901 0.94 PTGIR (0.41) BDKRB1ALDH1A1PTGIRMEN1KMT2A
SCHEMBL493135 0.94 BDKRB1 (0.39) BDKRB1PTGIRKMT2A
SCHEMBL493109 0.93 SLC9A3 (0.35) BDKRB1ALDH1A1LMNAPTGIRPKM
SCHEMBL493893 0.92 BDKRB1 (0.39) BDKRB1ALDH1A1LMNAPTGIRMEN1
SCHEMBL493519 0.90 LMNA (0.40) ALDH1A1LMNAPTGIRMEN1KMT2A
SCHEMBL492844 0.89 PTGIR (0.40) BDKRB1PTGIRMEN1KMT2AFAAH
SCHEMBL493043 0.89 BDKRB1 (0.38) BDKRB1PTGIRSLC9A3
SCHEMBL493506 0.88 PTGIR (0.35) BDKRB1PTGIRKMT2ASLC9A3
SCHEMBL493359 0.88 BDKRB1 (0.36) BDKRB1ALDH1A1LMNAPTGIR
SCHEMBL492721 0.88 CXCR3 (0.43) ALDH1A1LMNAPTGIRMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD BDKRB1 1622/4885ALDH1A1 1349/4885LMNA 2485/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.